============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 27 1.000 30.704 79.959 95.824 -99.200 -91.000 PHE 29 1.000 30.968 82.502 89.558 -99.200 -91.000 TRP 33 1.040 41.972 81.052 90.915 -99.200 -91.000 TRP6 33 1.020 44.107 80.145 90.463 -99.200 -91.000 TRP 36 1.040 33.640 73.882 83.350 -99.200 -91.000 TRP6 36 1.020 31.408 73.136 83.567 -99.200 -91.000 TRP 47 1.040 41.688 70.670 86.068 -99.200 -91.000 TRP6 47 1.020 43.104 71.533 84.391 -99.200 -91.000 TYR 62 0.840 40.924 75.808 77.892 -99.200 -91.000 PHE 70 1.000 35.923 69.761 75.741 -99.200 -91.000 TYR 82 0.840 27.886 80.803 80.437 -99.200 -91.000 TYR 96 0.840 32.117 66.831 80.263 -99.200 -91.000 PHE 103 1.000 41.182 80.108 101.525 -99.200 -91.000 TYR 113 0.840 53.391 77.868 105.842 -99.200 -91.000 TRP 117 1.040 34.085 68.232 95.118 -99.200 -91.000 TRP6 117 1.020 35.391 66.864 93.700 -99.200 -91.000 PHE 136 1.000 19.274 37.263 70.423 -99.200 -91.000 TYR 159 0.840 18.752 48.020 77.194 -99.200 -91.000 PHE 160 1.000 20.869 55.708 73.630 -99.200 -91.000 TRP 168 1.040 12.200 36.544 84.989 -99.200 -91.000 TRP6 168 1.020 12.787 35.074 83.234 -99.200 -91.000 HIS 178 0.900 20.272 37.926 92.197 -99.200 -91.000 PHE 180 1.000 23.470 39.145 87.504 -99.200 -91.000 TYR 190 0.840 23.074 52.220 78.192 -99.200 -91.000 TYR 208 0.840 10.284 28.754 85.376 -99.200 -91.000 HIS 214 0.900 13.894 50.556 75.427 -99.200 -91.000